8QXM
 
 | | Cryo-EM structure of tetrameric human SAMHD1 State III - Relaxed | | Descriptor: | 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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8R0E
 | | p97 (VCP) mutant - F266A | | Descriptor: | Transitional endoplasmic reticulum ATPase | | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | Deposit date: | 2023-10-31 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | p97 (VCP) mutant - F266A
To Be Published
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8RSC
 | | p97 (VCP) mutant - F539A | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Transitional endoplasmic reticulum ATPase | | Authors: | Arie, M, Matzov, D, Karmona, R, Szenkier, N, Stanhill, A, Navon, A. | | Deposit date: | 2024-01-24 | | Release date: | 2024-05-29 | | Method: | ELECTRON MICROSCOPY (3.6 Å) | | Cite: | p97 (VCP) mutant - F539A
To Be Published
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8RFN
 | | Human NOQ1 enzyme in its holo form by serial crystallography | | Descriptor: | 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1 | | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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8QXJ
 | | Cryo-EM structure of tetrameric human SAMHD1 with dApNHpp | | Descriptor: | 2'-deoxy-5'-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]amino}phosphoryl]adenosine, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, FE (III) ION, ... | | Authors: | Acton, O.J, Sheppard, D, Rosenthal, P.B, Taylor, I.A. | | Deposit date: | 2023-10-24 | | Release date: | 2024-05-15 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (2.65 Å) | | Cite: | Platform-directed allostery and quaternary structure dynamics of SAMHD1 catalysis.
Nat Commun, 15, 2024
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6LGM
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6KZG
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6LIH
 | | BRD4 BD1 bound with compound 10 | | Descriptor: | (3~{R})-1,3-dimethyl-6-[(4-phenylpyrimidin-2-yl)amino]-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D. | | Deposit date: | 2019-12-11 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.62030542 Å) | | Cite: | BRD4 BD1 bound with compound 10
To Be Published
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6LIM
 | | BRD4-BD1 bound with compound 40 | | Descriptor: | (3~{R})-6-[(4-isoquinolin-4-ylpyrimidin-2-yl)amino]-1,3-dimethyl-4-propan-2-yl-3~{H}-quinoxalin-2-one, Bromodomain-containing protein 4 | | Authors: | Xiong, B, Cao, D, Li, Y. | | Deposit date: | 2019-12-12 | | Release date: | 2020-12-16 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75909507 Å) | | Cite: | BRD4-BD1 bound with compound 40
To Be Published
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6LG7
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6I7Y
 | | Crystal Structure of the first bromodomain of BRD4 in complex with RT56 | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium | | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-19 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1 Å) | | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with RT56
To Be Published
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6IN1
 | | Crystal structure of the first bromodomain of BRD4 in complex with 18-Crown-6 | | Descriptor: | 1,4,7,10,13,16-HEXAOXACYCLOOCTADECANE, Bromodomain-containing protein 4, N-[(7S)-1,2,3,10-tetramethoxy-9-oxo-6,7-dihydro-5H-benzo[d]heptalen-7-yl]ethanamide, ... | | Authors: | Yokoyama, T, Kosaka, Y, Matsumoto, K, Kitakami, R, Nabeshima, Y, Mizuguchi, M. | | Deposit date: | 2018-10-24 | | Release date: | 2019-10-30 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Crown Ethers as Transthyretin Amyloidogenesis Inhibitor
To Be Published
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8RHN
 | | Structure of the 55LCC ATPase complex | | Descriptor: | ATPase family gene 2 protein homolog A, ATPase family gene 2 protein homolog B, Cyclin-dependent kinase 2-interacting protein, ... | | Authors: | Foglizzo, M, Degtjarik, O, Zeqiraj, E. | | Deposit date: | 2023-12-15 | | Release date: | 2024-03-27 | | Last modified: | 2024-05-08 | | Method: | ELECTRON MICROSCOPY (4.5 Å) | | Cite: | The SPATA5-SPATA5L1 ATPase complex directs replisome proteostasis to ensure genome integrity.
Cell, 187, 2024
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6IP8
 | | Cryo-EM structure of the HCV IRES dependently initiated CMV-stalled 80S ribosome (Structure iv) | | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA, 40S ribosomal protein S10, ... | | Authors: | Yokoyama, T, Shigematsu, H, Shirouzu, M, Imataka, H, Ito, T. | | Deposit date: | 2018-11-02 | | Release date: | 2019-05-29 | | Last modified: | 2019-11-06 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | HCV IRES Captures an Actively Translating 80S Ribosome.
Mol.Cell, 74, 2019
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8ROX
 | | Structure of the human DDB1-DDA1-DCAF15 E3 ubiquitin ligase bound to compound furan 12 | | Descriptor: | 5-[[3,4-bis(chloranyl)-1~{H}-indol-7-yl]sulfamoyl]-~{N},~{N},3-trimethyl-furan-2-carboxamide;ethane, DDB1- and CUL4-associated factor 15, DET1- and DDB1-associated protein 1, ... | | Authors: | Shilliday, F, Lucas, S.C.C, Richter, M, Michaelides, I.N, Fusani, L. | | Deposit date: | 2024-01-12 | | Release date: | 2024-04-03 | | Last modified: | 2024-05-22 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Optimization of Potent Ligands for the E3 Ligase DCAF15 and Evaluation of Their Use in Heterobifunctional Degraders.
J.Med.Chem., 67, 2024
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6I7X
 | | Crystal Structure of the first bromodomain of BRD4 in complex with RT53 | | Descriptor: | 1,2-ETHANEDIOL, 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone, Bromodomain-containing protein 4 | | Authors: | Picaud, S, Traquete, R, Bernardes, G.J.L, Newman, J, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Structural Genomics Consortium (SGC) | | Deposit date: | 2018-11-19 | | Release date: | 2019-11-27 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Crystal Structure of the first bromodomain of BRD4 in complex with RT53
To Be Published
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8RGG
 | | Structure of dynein-2 intermediate chain DYNC2I2 (WDR34) in complex with dynein-2 heavy chain DYNC2H1. | | Descriptor: | Cytoplasmic dynein 2 intermediate chain 1, Cytoplasmic dynein 2 intermediate chain 2, Dynein light chain 1, ... | | Authors: | Mukhopadhyay, A.G, Toropova, K, Daly, L, Wells, J, Vuolo, L, Mladenov, M, Seda, M, Jenkins, D, Stephens, D.J, Roberts, A.J. | | Deposit date: | 2023-12-13 | | Release date: | 2024-03-20 | | Last modified: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Structure and tethering mechanism of dynein-2 intermediate chains in intraflagellar transport.
Embo J., 43, 2024
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8RDZ
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8RFM
 | | Human NOQ1 enzyme in complex with NADH by serial crystallography | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, NAD(P)H dehydrogenase [quinone] 1, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Martin-Garcia, J.M, Grieco, A, Medina, M, Boneta, S, Pey, A.L. | | Deposit date: | 2023-12-13 | | Release date: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural dynamics and functional cooperativity of human NQO1 by ambient temperature serial crystallography and simulations.
Protein Sci., 33, 2024
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8SVI
 | | Ubiquitin variant i53:Mutant L67H with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin Variant i53: Mutant L67H | | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.15 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVJ
 | | Ubiquitin variant i53: mutant VHH with 53BP1 Tudor domain | | Descriptor: | GLYCEROL, Tumor protein p53 binding protein 1, Ubiquitin varient i53 mutant VHH | | Authors: | Holden, J, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVG
 | | Ubiquitin variant i53 in complex with 53BP1 Tudor domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.21 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8T2D
 | | Ubiquitin variant i53:Mutant T12Y.T14E.L67R with 53BP1 Tudor domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53 | | Authors: | Partridge, J.R, Holden, J.K, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-06-05 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.751 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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8SVH
 | | Ubiquitin variant i53 mutant L67R bound to 53BP1 Tudor Domain | | Descriptor: | Tumor protein p53 binding protein 1, Ubiquitin variant i53: mutant L67R | | Authors: | Holden, J.K, Partridge, J.R, Wibowo, A.S, Mulichak, A. | | Deposit date: | 2023-05-16 | | Release date: | 2024-03-27 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | Functional screening in human HSPCs identifies optimized protein-based enhancers of Homology Directed Repair.
Nat Commun, 15, 2024
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6JJ3
 | | BRD4 in complex with 138A | | Descriptor: | 2-methoxy-N-[2-methyl-6-(4-methylpiperazin-1-yl)-3-oxidanylidene-2,7-diazatricyclo[6.3.1.0^{4,12}]dodeca-1(12),4,6,8,10-pentaen-9-yl]benzenesulfonamide, Bromodomain-containing protein 4 | | Authors: | Xu, J, Chen, Y, Jiang, F, Zhu, J. | | Deposit date: | 2019-02-25 | | Release date: | 2020-01-22 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.718 Å) | | Cite: | Discovery of Benzo[cd]indol-2(1H)-ones and Pyrrolo[4,3,2-de]quinolin-2(1H)-ones as Bromodomain and Extra-Terminal Domain (BET) Inhibitors with Selectivity for the First Bromodomain with Potential High Efficiency against Acute Gouty Arthritis.
J.Med.Chem., 62, 2019
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